1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine

C17H19N5O3S — CID 11360802

IUPAC1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
SMILESCS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1
InChIInChI=1S/C17H19N5O3S/c1-26(23,24)14-4-2-12(3-5-14)22-16-15(10-21-22)17(20-11-19-16)25-13-6-8-18-9-7-13/h2-5,10-11,13,18H,6-9H2,1H3
InChIKeyBUASULFPEGUFMH-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.35
Rot. Bonds4

About 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine

1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine (PubChem CID 11360802) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
PubChem CID11360802
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
SMILESCS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1
InChIInChI=1S/C17H19N5O3S/c1-26(23,24)14-4-2-12(3-5-14)22-16-15(10-21-22)17(20-11-19-16)25-13-6-8-18-9-7-13/h2-5,10-11,13,18H,6-9H2,1H3
InChIKeyBUASULFPEGUFMH-UHFFFAOYSA-N
XLogP1.35
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-fluoro-4-methylsulfonylphenyl)-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
CID 141106657
4-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]butan-2-one
CID 69348118
3-fluoro-4-(4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidin-1-yl)benzenesulfonamide
CID 141106636
[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-pyridazin-4-ylmethanone
CID 11179086
1-phenyl-4-pyrrolidin-3-yloxypyrazolo[5,4-d]pyrimidine
CID 62348088
1-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]cyclohexane-1-carboxylic acid
CID 174586184
2-(2-chloro-5-fluoro-3-pyridinyl)-4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carbaldehyde
CID 87218329
tert-butyl N-methyl-N-[3-[4-[1-(4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-3-oxopropyl]carbamate
CID 11467089
1-(4-fluoro-6-methoxy-3-pyridinyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine
CID 141280007
5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
tert-butyl N-[4-[[1-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]piperidin-1-yl]carbamate
CID 58664101
butyl 4-[1-[2-(dimethylamino)-4-methylsulfonylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 150596065

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine (CID 11360802) is 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine is CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)cc1.
What is the InChIKey of 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine?
The InChIKey is BUASULFPEGUFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-26(23,24)14-4-2-12(3-5-14)22-16-15(10-21-22)17(20-11-19-16)25-13-6-8-18-9-7-13/h2-5,10-11,13,18H,6-9H2,1H3.
What are the key properties of 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine?
1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine has a molecular weight of 373.44 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 11360802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).